N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C18H29N5O2 — CID 133113348

IUPACN-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1C1CC1
InChIInChI=1S/C18H29N5O2/c1-11-14(12(2)22(3)21-11)6-7-18(25)20-16-9-23(10-17(19)24)8-15(16)13-4-5-13/h13,15-16H,4-10H2,1-3H3,(H2,19,24)(H,20,25)/t15-,16+/m0/s1
InChIKeyXAOIMDKEQFNRKU-JKSUJKDBSA-N
MW347.46 g/mol
LogP0.28
Rot. Bonds7

About N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 133113348) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID133113348
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1C1CC1
InChIInChI=1S/C18H29N5O2/c1-11-14(12(2)22(3)21-11)6-7-18(25)20-16-9-23(10-17(19)24)8-15(16)13-4-5-13/h13,15-16H,4-10H2,1-3H3,(H2,19,24)(H,20,25)/t15-,16+/m0/s1
InChIKeyXAOIMDKEQFNRKU-JKSUJKDBSA-N
XLogP0.28
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-cyclopropyl-1-(3-methylbut-2-enyl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
CID 154898039
N-[2-(aminomethyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119603106
methyl (1S,2R,3S,4S)-3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]bicyclo[2.2.1]heptane-2-carboxylate
CID 99846460
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 91785336
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96577638
N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
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N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290020
2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide
CID 72904594
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 91763945
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CID 71979348
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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 133113348) is N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1C1CC1.
What is the InChIKey of N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is XAOIMDKEQFNRKU-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-11-14(12(2)22(3)21-11)6-7-18(25)20-16-9-23(10-17(19)24)8-15(16)13-4-5-13/h13,15-16H,4-10H2,1-3H3,(H2,19,24)(H,20,25)/t15-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 347.46 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 133113348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).