N-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide

C22H29N5O — CID 97283042

IUPACN-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccnn1CC1CC1)N1CCN([C@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H29N5O/c28-22(24-21-9-10-23-27(21)16-17-5-6-17)26-13-11-25(12-14-26)20-8-7-18-3-1-2-4-19(18)15-20/h1-4,9-10,17,20H,5-8,11-16H2,(H,24,28)/t20-/m0/s1
InChIKeyOOCNZSIDSARROQ-FQEVSTJZSA-N
MW379.51 g/mol
LogP3.00
Rot. Bonds4

About N-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide

N-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide (PubChem CID 97283042) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide
PubChem CID97283042
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccnn1CC1CC1)N1CCN([C@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H29N5O/c28-22(24-21-9-10-23-27(21)16-17-5-6-17)26-13-11-25(12-14-26)20-8-7-18-3-1-2-4-19(18)15-20/h1-4,9-10,17,20H,5-8,11-16H2,(H,24,28)/t20-/m0/s1
InChIKeyOOCNZSIDSARROQ-FQEVSTJZSA-N
XLogP3.00
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide (CID 97283042) is N-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide is O=C(Nc1ccnn1CC1CC1)N1CCN([C@H]2CCc3ccccc3C2)CC1.
What is the InChIKey of N-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide?
The InChIKey is OOCNZSIDSARROQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29N5O/c28-22(24-21-9-10-23-27(21)16-17-5-6-17)26-13-11-25(12-14-26)20-8-7-18-3-1-2-4-19(18)15-20/h1-4,9-10,17,20H,5-8,11-16H2,(H,24,28)/t20-/m0/s1.
What are the key properties of N-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide?
N-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 97283042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).