N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

C22H29N5 — CID 95880794

IUPACN-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)n2nccc2n1
InChIInChI=1S/C22H29N5/c1-3-7-20-14-22(27-21(24-20)10-12-23-27)25(2)15-19-11-13-26(17-19)16-18-8-5-4-6-9-18/h4-6,8-10,12,14,19H,3,7,11,13,15-17H2,1-2H3/t19-/m1/s1
InChIKeyLKGRSVRMXACRPU-LJQANCHMSA-N
MW363.51 g/mol
LogP3.64
Rot. Bonds7

About N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95880794) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95880794
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC NameN-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)n2nccc2n1
InChIInChI=1S/C22H29N5/c1-3-7-20-14-22(27-21(24-20)10-12-23-27)25(2)15-19-11-13-26(17-19)16-18-8-5-4-6-9-18/h4-6,8-10,12,14,19H,3,7,11,13,15-17H2,1-2H3/t19-/m1/s1
InChIKeyLKGRSVRMXACRPU-LJQANCHMSA-N
XLogP3.64
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

1-benzyl-3-propylpyrrolidine
CID 12648211
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
1-benzyl-3-ethylpyrrolidine
CID 12648208
7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine
CID 95708915
N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine
CID 96552859
2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid
CID 66565012
3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol
CID 95869229
3-[[3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol
CID 56893377
5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 63820617
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide
CID 124608268
CID 174062770
CID 174062770
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (CID 95880794) is N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)n2nccc2n1.
What is the InChIKey of N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LKGRSVRMXACRPU-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29N5/c1-3-7-20-14-22(27-21(24-20)10-12-23-27)25(2)15-19-11-13-26(17-19)16-18-8-5-4-6-9-18/h4-6,8-10,12,14,19H,3,7,11,13,15-17H2,1-2H3/t19-/m1/s1.
What are the key properties of N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 363.51 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95880794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).