N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C21H23N7 — CID 71011382

IUPACN-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(CNc2cc(C3CCCNC3)nc3c(-c4cn[nH]c4)cnn23)cc1
InChIInChI=1S/C21H23N7/c1-2-5-15(6-3-1)10-23-20-9-19(16-7-4-8-22-11-16)27-21-18(14-26-28(20)21)17-12-24-25-13-17/h1-3,5-6,9,12-14,16,22-23H,4,7-8,10-11H2,(H,24,25)
InChIKeyQPYBTVGILMZEGJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.20
Rot. Bonds5

About N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71011382) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71011382
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC NameN-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(CNc2cc(C3CCCNC3)nc3c(-c4cn[nH]c4)cnn23)cc1
InChIInChI=1S/C21H23N7/c1-2-5-15(6-3-1)10-23-20-9-19(16-7-4-8-22-11-16)27-21-18(14-26-28(20)21)17-12-24-25-13-17/h1-3,5-6,9,12-14,16,22-23H,4,7-8,10-11H2,(H,24,25)
InChIKeyQPYBTVGILMZEGJ-UHFFFAOYSA-N
XLogP3.20
TPSA82.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

ethane;3-(1H-pyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 143441754
3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159291178
7-N-[(3-chlorophenyl)methyl]-3-cyclopropyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;hydrochloride
CID 155104186
3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24822346
3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 143439224
5-piperazin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71108858
7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155104195
tert-butyl 3-[7-(2-morpholin-4-ylethylamino)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 71108668
4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 123541941
N-ethyl-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-methylbut-3-en-2-imine
CID 143803577
CID 89023533
CID 89023533
7-N-benzyl-3-propan-2-yl-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 123515972

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 71011382) is N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is c1ccc(CNc2cc(C3CCCNC3)nc3c(-c4cn[nH]c4)cnn23)cc1.
What is the InChIKey of N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QPYBTVGILMZEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-2-5-15(6-3-1)10-23-20-9-19(16-7-4-8-22-11-16)27-21-18(14-26-28(20)21)17-12-24-25-13-17/h1-3,5-6,9,12-14,16,22-23H,4,7-8,10-11H2,(H,24,25).
What are the key properties of N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 373.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71011382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).