[(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid

C10H17N5O2 — CID 141313420

IUPAC[(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid
SMILESCn1ncc(N)c1N1CC[C@H](CNC(=O)O)C1
InChIInChI=1S/C10H17N5O2/c1-14-9(8(11)5-13-14)15-3-2-7(6-15)4-12-10(16)17/h5,7,12H,2-4,6,11H2,1H3,(H,16,17)/t7-/m1/s1
InChIKeyJCVHYJQBVAHQKL-SSDOTTSWSA-N
MW239.28 g/mol
LogP0.10
Rot. Bonds3

About [(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid

[(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid (PubChem CID 141313420) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is [(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid.

Molecular Properties

Compound Name[(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid
PubChem CID141313420
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name[(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid
SMILESCn1ncc(N)c1N1CC[C@H](CNC(=O)O)C1
InChIInChI=1S/C10H17N5O2/c1-14-9(8(11)5-13-14)15-3-2-7(6-15)4-12-10(16)17/h5,7,12H,2-4,6,11H2,1H3,(H,16,17)/t7-/m1/s1
InChIKeyJCVHYJQBVAHQKL-SSDOTTSWSA-N
XLogP0.10
TPSA96.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate
CID 58464892
[1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid
CID 67456245
[1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid
CID 67437095
[1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylcarbamic acid
CID 21105355
4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide
CID 65357053
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide
CID 56881772
[1-(4-amino-3-chloro-2-cyanophenyl)pyrrolidin-3-yl]methylcarbamic acid
CID 21105343
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-pyrrolidin-1-ylpropanamide
CID 70728096
5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide
CID 115330698
[1-(4-chloropyrimidin-2-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 87372576
5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide
CID 45221264
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70727053

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid?
The IUPAC name of [(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid (CID 141313420) is [(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid.
What is the SMILES notation for [(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid?
The canonical SMILES for [(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid is Cn1ncc(N)c1N1CC[C@H](CNC(=O)O)C1.
What is the InChIKey of [(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid?
The InChIKey is JCVHYJQBVAHQKL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-14-9(8(11)5-13-14)15-3-2-7(6-15)4-12-10(16)17/h5,7,12H,2-4,6,11H2,1H3,(H,16,17)/t7-/m1/s1.
What are the key properties of [(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid?
[(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid has a molecular weight of 239.28 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid is sourced from PubChem (CID 141313420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).